304884-54-6

Basic information

• Product Name: 3-(5-(Methoxycarbonyl)furan-2-yl)benzoic acid
• Synonyms: 3-(5-(Methoxycarbonyl)furan-2-yl)benzoic acid;3-(5-Nitrofuran-2-yl)benzoic acid
• CAS NO: 304884-54-6
• Molecular Formula: C₁₂H₈O₄
• Molecular Weight: 216.19
• Mol File: 304884-54-6.mol
• Article Data: 16

Chemical Properties

• Boiling Point: 464.8±40.0 °C(Predicted)
• Appearance: /
• Density: 1.336±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: 3.98±0.10(Predicted)
• CAS DataBase Reference: 3-(5-(Methoxycarbonyl)furan-2-yl)benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(5-(Methoxycarbonyl)furan-2-yl)benzoic acid(304884-54-6)
• EPA Substance Registry System: 3-(5-(Methoxycarbonyl)furan-2-yl)benzoic acid(304884-54-6)

Safety Data

• Hazardous Substances Data: 304884-54-6(Hazardous Substances Data)

Usage

General Description

3-(5-(Methoxycarbonyl)furan-2-yl)benzoic acid is a chemical compound with the molecular formula C15H10O5. It is a derivative of benzoic acid and furan, containing a furan ring with a methoxycarbonyl group attached to the fifth position and a benzoic acid group attached to the third position. 3-(5-(Methoxycarbonyl)furan-2-yl)benzoic acid is often used in organic synthesis and medicinal chemistry, with potential applications in pharmaceuticals and materials science. Its unique structure and properties make it a promising candidate for further research and development in various industries.

Upstream product

• 1899-24-7 5-bromo-2-furancarboxaldehyde 
• 25487-66-5 3-Carboxyphenylboronic acid 
• 27329-70-0 5-formylfurane-2-boronic acid 
• 585-76-2 m-bromobenzoic acid 
• 98-01-1 furfural 
• 99-05-8 meta-aminobenzoic acid 
• 618-51-9 3-Iodobenzoic acid 

Downstream Products

• 1052597-27-9 C₂₃H₁₆N₂O₆ 
• 1052596-87-8 C₂₃H₁₆N₂O₆ 
• 1202918-24-8 (E)-3-(5-((5-chloro-2-oxoindolin-3-ylidene)methyl)furan-2-yl)benzoic acid 
• 591723-69-2 methyl 3-(5-formylfuran-2-yl)benzoate 
• 1222376-81-9 (Z)-3-(5-((7-(2-methoxyphenyl)-9-oxo-5H-benzo[h]thiazolo[2,3-b]quinazolin-10(6H,7H,9H)-ylidene)methyl)furan-2-yl)benzoic acid 
• 1222376-98-8 (Z)-3-(5-((7-(2-fluorophenyl)-9-oxo-5H-benzo[h]thiazolo[2,3-b]quinazolin-10(6H,7H,9H)-ylidene)methyl)furan-2-yl)benzoic acid 
• 1222376-99-9 (Z)-3-(5-((7-(3-fluorophenyl)-9-oxo-5H-benzo[h]thiazolo[2,3-b]quinazolin-10(6H,7H,9H)-ylidene)methyl)furan-2-yl)benzoic acid 
• 1222377-04-9 (Z)-3-(5-((7-(3-nitrophenyl)-9-oxo-5H-benzo[h]thiazolo[2,3-b]quinazolin-10(6H,7H,9H)-ylidene)methyl)furan-2-yl)benzoic acid 
• 1222377-06-1 (Z)-3-(5-((7-(furan-2-yl)-9-oxo-5H-benzo[h]thiazolo[2,3-b]quinazolin-10(6H,7H,9H)-ylidene)methyl)furan-2-yl)benzoic acid 
• 1222377-11-8 3-(5-((Z)-((E)-9-(3-fluorobenzylidene)-5-(3-fluorophenyl)-3-oxo-3,5,6,7,8,9-hexahydro-2H-thiazolo[2,3-b]quinazolin-2-ylidene)methyl)furan-2-yl)benzoic acid 
• 1222377-10-7 (Z)-3-(5-((7-(3-fluorophenyl)-3-methoxy-9-oxo-5H-benzo[h]thiazolo[2,3-b]quinazolin-10(6H,7H,9H)-ylidene)methyl)furan-2-yl)benzoic acid 
• 1222377-01-6 (Z)-3-(5-((7-(4-fluorophenyl)-9-oxo-5H-benzo[h]thiazolo[2,3-b]quinazolin-10(6H,7H,9H)-ylidene)methyl)furan-2-yl)benzoic acid 
• 1222376-96-6 (Z)-3-(5-((9-oxo-7-phenyl-5H-benzo[h]thiazolo[2,3-b]quinazolin-10(6H,7H,9H)-ylidene)methyl)furan-2-yl)benzoic acid 
• 306985-38-6 3-(5-((6-(ethoxycarbonyl)-5-(4-methoxyphenyl)-3-oxo-7-phenyl-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-2-ylidene)methyl)furan-2-yl)benzoic acid 

Relevant articles and documents

Structure-based discovery of new selective small-molecule sirtuin 5 inhibitors

Human sirtuin 5 (SIRT5) is a protein deacylase regulating metabolic pathways and stress responses and is implicated in metabolism-related diseases. Small-molecule inhibitors for SIRT5 are sought as chemical tools and potential therapeutics. Herein, we proposed a customized virtual screening approach targeting catalytically important and unique residues Tyr102 and Arg105 of SIRT5. Of the 20 tested virtual screening hits, six compounds displayed marked inhibitory activities against SIRT5. For the hit compound 19, a series of newly synthesized (E)-2-cyano-N-phenyl-3-(5-phenylfuran-2-yl)acrylamide derivatives/analogues were carried out structure–activity relationship analyses, resulting in new more potent inhibitors, among which 37 displayed the most potent inhibition to SIRT5 with an IC50 value of 5.59?±?0.75?μM. The biochemical studies revealed that 37 likely acts via competitive inhibition with the succinyl-lysine substrate, rather than the NAD+ cofactor, and it manifested substantial selectivity for SIRT5 over SIRT2 and SIRT6. This study will aid further efforts to develop new selective SIRT5 inhibitors as tools and therapeutics.

Functionally substituted isoxazoles and isothiazoles: Synthesis, palladium(II) complexes and their catalytic activity

Functionally substituted 5-(p-tolyl)isoxazoles and 4,5-dichloroisothiazoles, whose molecules contain azomethine, amino, carboxyl, and ester moieties in various combinations in the aromatic ring in the position 3 of heterocycle, were synthesized. Synthesis of complexes of Pd(II) with carboxyl derivative of 1,2-azoles was performed. They show high catalytic activity in the Suzuki reaction in aqueous media.

Synthesis of [11C]CX-6258 as a new PET tracer for imaging of Pim kinases in cancer

Abstract The reference standard CX-6258 {(E)-5-chloro-3-((5-(3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl)furan-2-yl)methylene)indolin-2-one, 4a} and its desmethylated precursor N-desmethyl-CX-6258 {(E)-3-((5-(3-(1,4-diazepane-1-carbonyl)phenyl)furan-2-yl)methylene)-5-chloroindolin-2-one, 5} for radiolabeling were synthesized from 5-bromo-2-furaldehyde and 3-carboxybenzeneboronic acid in 3 and 4 steps with 29-49% and 24-32% overall chemical yield, respectively. The target tracer [11C]CX-6258 {(E)-5-chloro-3-((5-(3-(4-[11C]methyl-1,4-diazepane-1-carbonyl)phenyl)furan-2-yl)methylene)indolin-2-one, [11C]4a} was prepared from N-desmethyl-CX-6258 (5) with [11C]CH3OTf under basic condition (2 N NaOH) through N-[11C]methylation and isolated by HPLC combined with solid-phase extraction (SPE) in 40-50% radiochemical yield based on [11C]CO2 and decay corrected to end of bombardment (EOB) with 370-1110 GBq/μmol specific activity at EOB.